3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one

C13H12ClNO2 — CID 82064677

IUPAC3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCc1ccccc1Cl
InChIInChI=1S/C13H12ClNO2/c1-9-13(12(16)6-7-15-9)17-8-10-4-2-3-5-11(10)14/h2-7H,8H2,1H3,(H,15,16)
InChIKeyBUTNLNGURYOJSY-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.92
Rot. Bonds3

About 3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one

3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one (PubChem CID 82064677) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one
PubChem CID82064677
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCc1ccccc1Cl
InChIInChI=1S/C13H12ClNO2/c1-9-13(12(16)6-7-15-9)17-8-10-4-2-3-5-11(10)14/h2-7H,8H2,1H3,(H,15,16)
InChIKeyBUTNLNGURYOJSY-UHFFFAOYSA-N
XLogP2.92
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one (CID 82064677) is 3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one?
The InChIKey is BUTNLNGURYOJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-9-13(12(16)6-7-15-9)17-8-10-4-2-3-5-11(10)14/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one?
3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one has a molecular weight of 249.70 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 82064677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).